A derivation of the mixed quantum-classical Liouville equation from the influence functional formalism

作者：Shi Q^*; Geva E

来源：Journal of Chemical Physics, 2004, 121(8): 3393-3404.

DOI：10.1063/1.1771641

We show that the mixed quantum-classical Liouville equation is equivalent to linearizing the forward-backward action in the influence functional. Derivations are provided in terms of either the diabatic or adiabatic basis sets. An application of the mixed quantum-classical Liouville equation for calculating the memory kernel of the generalized quantum master equation is also presented. The accuracy and computational feasibility of such an approach is demonstrated in the case of a two-level system nonlinearly coupled to an anharmonic bath.

• 出版日期2004-8-22